Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 6/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 6/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 5/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 5/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 3/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | AKT2 | P31751 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7666298 | 0.95 | PDE4A (0.40) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| Acetic Acid SCHEMBL7655374 | 0.92 | PDE4A (0.41) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| Acetic Acid SCHEMBL7662840 | 0.91 | PDE4A (0.42) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| Acetic Acid SCHEMBL7654519 | 0.91 | PDE4A (0.43) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| Acetic Acid SCHEMBL7663775 | 0.90 | PDE4A (0.40) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| Acetic Acid SCHEMBL7662869 | 0.88 | PDE4A (0.41) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| Acetic Acid SCHEMBL7814736 | 0.88 | PDE4A (0.45) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| Acetic Acid SCHEMBL7663912 | 0.87 | CA12 (0.42) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| Acetic Acid SCHEMBL7664794 | 0.87 | CA12 (0.41) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| Acetic Acid SCHEMBL7662052 | 0.87 | PDE4A (0.40) | PDE4APDE4BPDE4CPDE4DPDE3B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6458792-B1 | MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, IMMUNOLOGICAL, BRONCHOPULMONARY, CARDIOVASCULAR, ONCOLOGICAL OR CNS-DEGENERATIVE DISORDERS. | ASTRAZENECA AB (SE) | 2002-10-01 | — | — | US | disclosed |
| EP-1071683-A1 | NEW COMPOUNDS | AstraZeneca AB (SE) | 2001-01-31 | — | — | EP | disclosed |
| WO-1999046264-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-09-16 | — | — | WO | disclosed |